Structure of PDB 7xvv Chain A Binding Site BS01

Receptor Information
>7xvv Chain A (length=389) Species: 2116483 (Wuhan spiny eel influenza virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECR
LFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWS
GTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESE
CVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECS
CLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRP
ADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGA
VFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLE
MGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV
Ligand information
Ligand IDZMR
InChIInChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
InChIKeyARAIBEBZBOPLMB-UFGQHTETSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1[CH](NC(N)=N)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O
ACDLabs 12.01C(=O)(O)C1=CC(C(NC(=O)C)C(O1)C(O)C(O)CO)N\C(=N)N
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NC(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O
FormulaC12 H20 N4 O7
NameZANAMIVIR;
4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
4-guanidino-Neu5Ac2en;
MODIFIED SIALIC ACID
ChEMBLCHEMBL222813
DrugBankDB00558
ZINCZINC000003918138
PDB chain7xvv Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xvv Structure of neuraminidase from influenza B-like viruses derived from spiny eel
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E122 D154 R155 W182 R228 E231 A250 E280 R297 R380 Y414
Binding residue
(residue number reindexed from 1)		E39 D71 R72 W99 R145 E148 A167 E197 R214 R297 Y331
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0016020 membrane
GO:0033644 host cell membrane
GO:0055036 virion membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xvv, PDBe:7xvv, PDBj:7xvv
PDBsum7xvv
PubMed36191180
UniProtA0A2P1GNP4

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